[1-[[2,6-bis(oxidanyl)-3-phosphonooxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] icosanoate

Systemtic Name: [1-[[2,6-bis(oxidanyl)-3-phosphonooxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] icosanoate Openeye Name: [1-[[(2,6-dihydroxy-3-phosphonooxy-cyclohexoxy)-hydroxy-phosphoryl]oxymethyl]-2-octadecanoyloxy-ethyl] icosanoate CAS Name: eicosanoic acid [1-[(2,6-dihydroxy-3-phosphonooxycyclohexyl)oxy-hydroxyphosphoryl]oxy-3-(1-oxooctadecoxy)propan-2-yl] ester IUPAC Name: [1-[(2,6-dihydroxy-3-phosphonooxycyclohexyl)oxy-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] icosanoate Traditional Name: arachidic acid [1-[[(2,6-dihydroxy-3-phosphonooxy-cyclohexoxy)-hydroxy-phosphoryl]oxymethyl]-2-stearoyloxy-ethyl] ester Formula: C47H92O14P2 MolecularWeight: 943.172502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(CCC(C1O)OP(=O)(O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(CCC(C1O)OP(=O)(O)O)O

InChI

InChI=1S/C47H92O14P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-45(50)59-41(40-58-63(55,56)61-47-42(48)37-38-43(46(47)51)60-62(52,53)54)39-57-44(49)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h41-43,46-48,51H,3-40H2,1-2H3,(H,55,56)(H2,52,53,54)